SCHEMBL30035839

SCHEMBL30035839

Cc1ccc(-c2nc(C(=O)O)ncc2Cl)cc1F

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 14/20 0.59
▸ CHRNA7 P36544 1/20 0.40
▸ KCNQ3 O43525 2/20 0.40
▸ KCNQ2 O43526 2/20 0.40
▸ KCNE1 P15382 2/20 0.40
▸ KCNQ1 P51787 2/20 0.40
▸ KCNQ5 Q9NR82 1/20 0.40
▸ GRIN2B Q13224 1/20 0.39
▸ CTSA P10619 1/20 0.39
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C2 P52895 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25551795 1.00 KMO (0.59) KMOCHRNA7KCNQ3KCNQ2KCNE1
SCHEMBL25551805 0.90 KMO (0.49) KMOCHRNA7GRIN2BCTSA
SCHEMBL30036959 0.90 KMO (0.49) KMOCHRNA7GRIN2BCTSA
SCHEMBL25211353 0.88 KMO (0.56) KMO
SCHEMBL30036709 0.88 KMO (0.63) KMOKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL25551749 0.88 KMO (0.63) KMOKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL25559339 0.84 KMO (0.49) KMO
SCHEMBL30036996 0.83 KCNQ3 (0.42) KMOCHRNA7KCNQ3KCNQ2KCNE1
SCHEMBL25551797 0.83 KCNQ3 (0.42) KMOCHRNA7KCNQ3KCNQ2KCNE1
SCHEMBL25551841 0.81 KMO (0.57) KMO

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115515940-A Inhibitors of receptor interacting protein kinase I for the treatment of disease 德州大学系统董事会 2022-12-23 — — CN disclosed
Send feedback